1-(Pyrazin-2-YL)-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
503176-43-0- Standard SMILES
O=Cc1cnn(-c2cnccn2)c1- InChIKey
NNNVETIORKXOFC-UHFFFAOYSA-N- Molecular formula
- C8H6N4O
- Average molar mass
- 174.16 g/mol
- Monoisotopic mass
- 174.05416083
Names & identifiers
- Preferred name
- 1-(Pyrazin-2-YL)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-pyrazin-2-ylpyrazole-4-carbaldehyde
- English name
- 1-(Pyrazin-2-yl)-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C8H6N4O
- Molecular weight
- 174.16
Names & synonyms
1-(PYRAZIN-2-YL)-1H-PYRAZOLE-4-CARBALDEHYDE503176-43-01314975-68-21-pyrazin-2-ylpyrazole-4-carbaldehydeMFCD08669926DTXSID30698030AKOS006290772DS-6355SY108658DB-420484CS-01554921-(2-Pyrazinyl)-1H-pyrazole-4-carboxaldehyde
Show more names
1-(Pyrazin-2-yl)-1H-imidazole-4-carbaldehyde1-(2-pyrazinyl)-1H-imidazole-4-carboxaldehyde1H-Imidazole-4-carboxaldehyde, 1-(2-pyrazinyl)-
C753521H-Pyrazole-4-carboxaldehyde, 1-(2-pyrazinyl)-F240686F2147-7848
Database identifiers
- CAS
503176-43-0- PubChem CID
- 53422232
- DTXSID
DTXSID30698030
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 408.1 · 408.1±35.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- -0.23 · -0.23±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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